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Recent advances in quantum Monte Carlo methods /
The quantum Monte Carlo (QMC) method is gaining interest as a complement to basis set ab initio methods in cases where high accuracy computation of atomic and molecular properties is desired. This volume focuses on recent advances in this area. QMC as used here refers to methods that directly solve...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore ; River Edge, NJ :
World Scientific,
©1997.
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| Colección: | Recent advances in computational chemistry ;
v. 2. |
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- 1. Analytical wavefunctions from quantum Monte Carlo simulations / D. Bressannini [and others]
- 2. Quantum Monte Carlo: Direct determination of the difference between true and trial wavefunctions / J.B. Anderson, A. Luechow, and M. Mella
- 3. Atomic calculations using variational Monte Carlo / S.A. Alexander and R.L. Coldwell
- 4. Recent progress in QMC simulations of systems with multiple time scales: Hybrid nonadiabatic QMC / D. Bressannini and P.J. Reynolds
- 5. Quantum Monte Carlo calculations with multi-reference trial wave functions / H.-J. Flad, M. Caffarel, and A. Savin
- 6. Quantum Monte Carlo calculation of atoms and molecules / K. Iguchi
- 7. Quantum Monte Carlo with pseudopotentiais for electronic structure of atoms and molecules / C.W. Greeff, W.A. Lester, Jr., and B.L. Hammond
- 8. Quantum Monte Carlo study of Si and C molecular systems / L. Mitas and J.C. Grossman
- 9. Positrons: A challenge and opportunity for QMC / D.M. Schrader
- 10. All-electron Monte Carlo calculations of heavy atom systems / S.M. Rothstein
- 11. Quantum Monte Carlo method with model potentials / T. Yoshida
- 12. Monte Carlo optimization of trial wave functions in quantum mechanics and statistical mechanics / M.P. Nightingale and C.J. Umrigar.